SCHEMBL9303636

SCHEMBL9303636

CC(C)(C)OC(=O)Nn1c(=O)cc2n(C3CC3)c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)cc3n2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
STS P08842 3/20 0.35
GPR119 Q8TDV5 2/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9302582 0.93 ALDH1A1 (0.37) CDK4CCND1CCND2CCND3HRH3
SCHEMBL9303155 0.87 HRH3 (0.38) CDK4CCND1CCND2CCND3HRH3
SCHEMBL9302286 0.85 OPRM1 (0.38) CDK4CCND1CCND2CCND3HRH3
SCHEMBL9301295 0.83 OPRM1 (0.36) CDK4CCND1CCND2CCND3HRH3
SCHEMBL9301342 0.81 STS (0.38) HRH3OPRM1OPRD1OGFRL1STS
SCHEMBL9304073 0.80 MAPT (0.39) HRH3OPRM1OPRD1OGFRL1ALDH1A1
SCHEMBL9303642 0.79 OPRM1 (0.36) CDK4CCND1CCND2CCND3HRH3
SCHEMBL9302223 0.74 KDM4E (0.41) ALDH1A1KDM4EPIK3CAMAPTLMNA
SCHEMBL9301409 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL9847726 0.73 KDM4E (0.40) ALDH1A1KDM4EPIK3CAMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP claimed
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed